Tight-binding description of graphene–BCN–graphene layered semiconductors
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DOI: 10.1007/s10825-019-01442-z
Abstract: Based on density functional calculations, tight-binding models are proposed for few layers of three BCN allotropes sandwiched between two layers of graphene. The results pave the road toward investigation of the performance of novel nanoelectronic… read more here.
Keywords: tight binding; graphene bcn; graphene; description graphene ... See more keywords
Tight-binding description of semiconductive conjugated polymers
Sign Up to like & getrecommendations! Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2021.113190
Abstract: Abstract A tight-binding method has been introduced to investigate the electronic properties of conjugated polymer systems including polyacetylene, polyethylene, polythiophene, and polypyrrole chains. A bandgap is found between the valence and conduction bands of these… read more here.
Keywords: tight binding; semiconductive conjugated; binding description; conjugated polymers ... See more keywords